4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide

C17H13F6NO2 — CID 20704188

IUPAC4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H13F6NO2/c1-24(13-5-3-2-4-6-13)14(25)11-7-9-12(10-8-11)15(26,16(18,19)20)17(21,22)23/h2-10,26H,1H3
InChIKeyFDQUXSGTFCSPGG-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.28
Rot. Bonds3

About 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide

4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide (PubChem CID 20704188) has the molecular formula C17H13F6NO2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide
PubChem CID20704188
Molecular FormulaC17H13F6NO2
Molecular Weight377.28 g/mol
Exact Mass377.09
IUPAC Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H13F6NO2/c1-24(13-5-3-2-4-6-13)14(25)11-7-9-12(10-8-11)15(26,16(18,19)20)17(21,22)23/h2-10,26H,1H3
InChIKeyFDQUXSGTFCSPGG-UHFFFAOYSA-N
XLogP4.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)-4-(trifluoromethyl)benzamide
CID 17980288
4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one
CID 54680431
Cay10583
CID 51529932
N,N-diisobutyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 10200929
Piperidin-1-yl-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]methanone
CID 10269568
N-benzyl-N-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 10271742
(S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylbenzamide
CID 24895661
3-Benzyl-4-hydroxy-1-methylquinolin-2(1H)-one
CID 54705756
2'-{[Methyl(phenyl)amino]carbonyl}-2-biphenylcarboxylic acid
CID 877229
N-methyl-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzamide
CID 5188108
N-butyl-3-phenyl-N-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]propionamide
CID 10114592
4-Cyano-N-ethyl-N-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]benzamide
CID 10273363

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide (CID 20704188) is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide is CN(C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide?
The InChIKey is FDQUXSGTFCSPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6NO2/c1-24(13-5-3-2-4-6-13)14(25)11-7-9-12(10-8-11)15(26,16(18,19)20)17(21,22)23/h2-10,26H,1H3.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide?
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide has a molecular weight of 377.28 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 20704188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).